5DN6
ATP synthase from Paracoccus denitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 112.001, 187.943, 164.724 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 36.840 - 3.980 |
| R-factor | 0.29686 |
| Rwork | 0.295 |
| R-free | 0.32414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.166 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.840 | 4.080 |
| High resolution limit [Å] | 3.970 | 3.970 |
| Rmerge | 0.253 | 1.604 |
| Number of reflections | 57347 | |
| <I/σ(I)> | 7.7 | 1.9 |
| Completeness [%] | 98.3 | 87.9 |
| Redundancy | 9.5 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 50 mM Tris-HCl pH 8.0, 70-100 mM MgCl2, 18-20% polyethylene glycol 4000 |
